SCHEMBL2977265

SCHEMBL2977265

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KCNQ1 P51787 1/20 0.53
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
ITGB1 P05556 4/20 0.46
ITGA5 P08648 2/20 0.46
BDKRB1 P46663 10/20 0.46
ITGA4 P13612 2/20 0.46
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
CDK2 P24941 1/20 0.45
ITGB7 P26010 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2977267 1.00 POLB (0.53) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL5172768 1.00 POLB (0.53) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL13206952 0.91 POLB (0.49) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL630187 0.91 ITGB1 (0.56) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL630186 0.91 ITGB1 (0.56) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL630184 0.87 KCNQ1 (0.58) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL630183 0.87 KCNQ1 (0.58) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL629837 0.86 KCNQ1 (0.62) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL629838 0.86 KCNQ1 (0.62) POLBKCNQ1HCRTR1HCRTR2ITGB1
SCHEMBL5173103 0.86 KCNQ1 (0.62) POLBKCNQ1HCRTR1HCRTR2ITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 POLB 4105/4885KCNQ1 4358/4885HCRTR1 1329/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.